Chemical ID: 5492748

COc1ccc(cc1)c2csc(n2)NC(=O)COc3ccc(cc3Cl)Cl
Chemical ID:
5492748
Name [?]:
2-(2,4-dichlorophenoxy)-N-[4-(4-methoxyphenyl)thiazol-2-yl]-acetamide
SMILES [?]:
COc1ccc(cc1)c2csc(n2)NC(=O)COc3ccc(cc3Cl)Cl
InChi [?]:
InChI=1/C18H14Cl2N2O3S/c1-24-13-5-2-11(3-6-13)15-10-26-18(21-15)22-17(23)9-25-16-7-4-12(19)8-14(16)20/h2-8,10H,9H2,1H3,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,5,7,21,4,8,20,23,17,10,6,22,3,24,9,19,15,12,26,25,13,14,16,2,18,11/E:(2,3)(5,6)/rA:26nCOCCCCCCCCSCNNCOCOCCCCCCClCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s10;s11;s9d12;s12;s14;d15;s15;s17;s18;s19;d20;s21;d22;d19s23;s24;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H14Cl2N2O3S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:9.37701
Area:626.802
Solvation:-6.29303
Coulombic:-41.3467
Bond Count [?]
All:28
Single:19
Double:9
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:409.287
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.67
LogP (Chemaxon):5.0

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